9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H12F3N3O2 — CID 43058210

IUPAC9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(Cn3cc(C(F)(F)F)ccc3=O)nc12
InChIInChI=1S/C16H12F3N3O2/c1-10-3-2-6-22-14(24)7-12(20-15(10)22)9-21-8-11(16(17,18)19)4-5-13(21)23/h2-8H,9H2,1H3
InChIKeyKPNYRZRWAKIRBL-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.23
Rot. Bonds2

About 9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 43058210) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID43058210
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(Cn3cc(C(F)(F)F)ccc3=O)nc12
InChIInChI=1S/C16H12F3N3O2/c1-10-3-2-6-22-14(24)7-12(20-15(10)22)9-21-8-11(16(17,18)19)4-5-13(21)23/h2-8H,9H2,1H3
InChIKeyKPNYRZRWAKIRBL-UHFFFAOYSA-N
XLogP2.23
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 43058210) is 9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(Cn3cc(C(F)(F)F)ccc3=O)nc12.
What is the InChIKey of 9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KPNYRZRWAKIRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-10-3-2-6-22-14(24)7-12(20-15(10)22)9-21-8-11(16(17,18)19)4-5-13(21)23/h2-8H,9H2,1H3.
What are the key properties of 9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 335.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 43058210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).